Hexadecyl 16-methylheptadecanoate
TL;DR: Hexadecyl 16-methylheptadecanoate (CAS 69086-01-7) is a chemical compound with molecular formula C34H68O2 and molecular weight 508.52 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexadecyl 16-methylheptadecanoate
Also Known As: cetylisostearate, Hexadecyl 16-methylheptadecanoate, hexadecyl isostearate, Hexadecyl isooctadecanoate, hexadecylisooctadecanoate
| Molecular Formula | C34H68O2 |
|---|---|
| Molecular Weight | 508.52 g/mol |
| LogP | 16.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 31 |
| Exact Mass | 508.52194 |
| Heavy Atoms | 36 |
| Complexity | 417.0 |
Chemical Identifiers
| CAS Number | 69086-01-7 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC(C)C |
| InChIKey | FBQVFXLUGAFMIO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexadecyl 16-methylheptadecanoate (CAS 69086-01-7), with molecular formula C34H68O2 and molecular weight 508.52 g/mol. IUPAC: hexadecyl 16-methylheptadecanoate.
Chemical Property Profile of Hexadecyl 16-methylheptadecanoate
Property Insights of Hexadecyl 16-methylheptadecanoate
The XLogP value of 16.0 indicates that Hexadecyl 16-methylheptadecanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Hexadecyl 16-methylheptadecanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexadecyl 16-methylheptadecanoate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hexadecyl 16-methylheptadecanoate?
The CAS number of Hexadecyl 16-methylheptadecanoate is 69086-01-7.
What is the molecular formula of Hexadecyl 16-methylheptadecanoate?
The molecular formula of Hexadecyl 16-methylheptadecanoate is C34H68O2.
What is the molecular weight of Hexadecyl 16-methylheptadecanoate?
The molecular weight of Hexadecyl 16-methylheptadecanoate is 508.52 g/mol.
Where can I buy Hexadecyl 16-methylheptadecanoate?
You can request a quote for Hexadecyl 16-methylheptadecanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexadecyl 16-methylheptadecanoate?
Yes, KEHONG BIO provides custom synthesis services for Hexadecyl 16-methylheptadecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.